Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H31ClN6O3.2C4H4O4 |
| Molecular Weight | 815.2257 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOc1cc2c(cc1N=C(/C(/[H])=C(\[H])/[C@@]3([H])CCCN3C)O)c(=Nc4ccc(c(c4)Cl)OCc5ccccn5)c(C#N)c[nH]2.C(\[H])(=C(\[H])/C(=O)O)/C(=O)O.C(\[H])(=C(\[H])/C(=O)O)/C(=O)O
InChI
InChIKey=KLHFGQSCVQPTIN-XUZAKNADSA-N
InChI=1S/C32H31ClN6O3.2C4H4O4/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23;2*5-3(6)1-2-4(7)8/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40);2*1-2H,(H,5,6)(H,7,8)/b12-10+;2*2-1-/t24-;;/m1../s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0723 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C32H31ClN6O3 |
| Molecular Weight | 583.0811 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 09:37:41 UTC 2021
by
admin
on
Sat Jun 26 09:37:41 UTC 2021
|
| Record UNII |
85KUE857XM
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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1397922-61-0
Created by
admin on Sat Jun 26 09:37:41 UTC 2021 , Edited by admin on Sat Jun 26 09:37:41 UTC 2021
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72710866
Created by
admin on Sat Jun 26 09:37:41 UTC 2021 , Edited by admin on Sat Jun 26 09:37:41 UTC 2021
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PRIMARY | |||
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85KUE857XM
Created by
admin on Sat Jun 26 09:37:41 UTC 2021 , Edited by admin on Sat Jun 26 09:37:41 UTC 2021
|
PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |